Geometry & MOs

Info

ID:

108418

PubChem CID:

50244288

Reduced:

F4O4N5C35H37 (1)

Stoich.:

A4B4C5D35E37 (1)

Weight, g/mol:

701.239195

ΔHf, kcal/mol:

-331.53

Dipole, Da:

1.9

IP(EA), eV:

 -9.05(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-2-(trifluoromethyl)phenyl]-1-[1-[2-[4-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=C(C=C5)C(F)(F)F)C

DOS

IR

Vibrations